N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide

C9H11IN2OS — CID 79693813

IUPACN-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
SMILESNC1CC(NC(=O)c2csc(I)c2)C1
InChIInChI=1S/C9H11IN2OS/c10-8-1-5(4-14-8)9(13)12-7-2-6(11)3-7/h1,4,6-7H,2-3,11H2,(H,12,13)
InChIKeyFXTKYBSKOCOVKE-UHFFFAOYSA-N
MW322.17 g/mol
LogP1.57
Rot. Bonds2

About N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide

N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide (PubChem CID 79693813) has the molecular formula C9H11IN2OS and a molecular weight of 322.17 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
PubChem CID79693813
Molecular FormulaC9H11IN2OS
Molecular Weight322.17 g/mol
Exact Mass321.96
IUPAC NameN-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide
SMILESNC1CC(NC(=O)c2csc(I)c2)C1
InChIInChI=1S/C9H11IN2OS/c10-8-1-5(4-14-8)9(13)12-7-2-6(11)3-7/h1,4,6-7H,2-3,11H2,(H,12,13)
InChIKeyFXTKYBSKOCOVKE-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride
CID 119456063
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
3-[(5-iodothiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 79685648
N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
CID 79005771
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826
N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
CID 114301116
5-iodo-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-carboxamide
CID 79693424
N-(3-aminocyclobutyl)thiophene-3-carboxamide
CID 43594920
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-iodothiophene-3-carboxamide
CID 79693120
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
CID 104956640
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide (CID 79693813) is N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide is NC1CC(NC(=O)c2csc(I)c2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide?
The InChIKey is FXTKYBSKOCOVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2OS/c10-8-1-5(4-14-8)9(13)12-7-2-6(11)3-7/h1,4,6-7H,2-3,11H2,(H,12,13).
What are the key properties of N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide?
N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide has a molecular weight of 322.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79693813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).